36OJ

Tri-complex of Compound 2, KRAS G13C, and CypA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.97626
Spacegroup name	P 1 2 1
Unit cell lengths	64.840, 48.060, 101.720
Unit cell angles	90.00, 93.39, 90.00

Refinement procedure

Resolution	27.670 - 1.740
R-factor	0.1805
Rwork	0.178
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.237
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.670	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.072	1.839
Rpim	0.041	1.128
Number of reflections	63360	2739
<I/σ(I)>	7.69
Completeness [%]	98.0
Redundancy	3.9
CC(1/2)	0.998	0.266

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl